Skip to main content
. Author manuscript; available in PMC: 2012 Aug 31.
Published in final edited form as: J Am Chem Soc. 2011 Aug 10;133(34):13236–13239. doi: 10.1021/ja2042589

Figure 4.

Figure 4

(A) Antisymmetric double donor (ADD) geometry of one water molecule complexed to dimethyl phosphate. (B) Symmetric double donor (SDD) geometry of water complexed with dimethyl phosphate. The area of the red and blue circles are proportional to the calculated atomic charges of water, which are indicated as fractions of e. (C) Projection of the electric field, F, along the PO2− symmetry axis as function of the distance, d, from the phosphate atom for SDD (red) and ADD (black). The solid dotted line represents the intersection of the PO2− C2 axis and the O—O axis.